N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazolo[5,4-b]pyridine-3-carboxamide

C21H18F2N6O2 — CID 170957620

IUPACN-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCc1cnc2c(c1)c(C(=O)N[C@@H]1CCc3cc(-c4noc(C(F)F)n4)ccc31)nn2C
InChIInChI=1S/C21H18F2N6O2/c1-10-7-14-16(27-29(2)19(14)24-9-10)20(30)25-15-6-4-11-8-12(3-5-13(11)15)18-26-21(17(22)23)31-28-18/h3,5,7-9,15,17H,4,6H2,1-2H3,(H,25,30)/t15-/m1/s1
InChIKeyYCMUZANZHSMRKM-OAHLLOKOSA-N
MW424.41 g/mol
LogP3.68
Rot. Bonds4

About N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazolo[5,4-b]pyridine-3-carboxamide

N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 170957620) has the molecular formula C21H18F2N6O2 and a molecular weight of 424.41 g/mol. Its IUPAC name is N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID170957620
Molecular FormulaC21H18F2N6O2
Molecular Weight424.41 g/mol
Exact Mass424.15
IUPAC NameN-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCc1cnc2c(c1)c(C(=O)N[C@@H]1CCc3cc(-c4noc(C(F)F)n4)ccc31)nn2C
InChIInChI=1S/C21H18F2N6O2/c1-10-7-14-16(27-29(2)19(14)24-9-10)20(30)25-15-6-4-11-8-12(3-5-13(11)15)18-26-21(17(22)23)31-28-18/h3,5,7-9,15,17H,4,6H2,1-2H3,(H,25,30)/t15-/m1/s1
InChIKeyYCMUZANZHSMRKM-OAHLLOKOSA-N
XLogP3.68
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazolo[5,4-b]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazolo[5,4-b]pyridine-3-carboxamide
CID 170957798
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 170957678
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 139413072
N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylimidazole-4-carboxamide
CID 139412730
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-2-methylpropanamide
CID 139412191
N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 139412953
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide
CID 139413080
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-fluoro-3-(hydroxymethyl)benzamide
CID 139412304
N-[(1R)-5-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide
CID 139330915
[[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-(2-methyltetrazol-5-yl)methanol
CID 155296553
1-(2-hydroxyethyl)-N-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide
CID 139412938
N-[(1R)-5-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide
CID 139412715

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazolo[5,4-b]pyridine-3-carboxamide (CID 170957620) is N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazolo[5,4-b]pyridine-3-carboxamide is Cc1cnc2c(c1)c(C(=O)N[C@@H]1CCc3cc(-c4noc(C(F)F)n4)ccc31)nn2C.
What is the InChIKey of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is YCMUZANZHSMRKM-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H18F2N6O2/c1-10-7-14-16(27-29(2)19(14)24-9-10)20(30)25-15-6-4-11-8-12(3-5-13(11)15)18-26-21(17(22)23)31-28-18/h3,5,7-9,15,17H,4,6H2,1-2H3,(H,25,30)/t15-/m1/s1.
What are the key properties of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazolo[5,4-b]pyridine-3-carboxamide?
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 424.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 170957620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).